[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C17H10ClFN2O5S MolecularWeight: 408.788103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])F

InChI

InChI=1S/C17H10ClFN2O5S/c18-9-4-5-12(13(6-9)21(24)25)20-16(22)8-26-17(23)15-7-10-11(19)2-1-3-14(10)27-15/h1-7H,8H2,(H,20,22)